General Information of the Compound
| Compound ID |
CP0514084
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| Compound Name |
5-Methyl-2-{(R)-2-(1-methyl-1H-indol-3-yl)-1-[(S)-4-methyl-2-(3-pyridin-3-yl-ureido)-pentanoylamino]-ethyl}-oxazole-4-carboxylic acid
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| Structure |
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| Formula |
C28H32N6O5
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| Molecular Weight |
532.601
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)Nc1cccnc1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
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| InChI |
InChI=1S/C28H32N6O5/c1-16(2)12-21(32-28(38)30-19-8-7-11-29-14-19)25(35)31-22(26-33-24(27(36)37)17(3)39-26)13-18-15-34(4)23-10-6-5-9-20(18)23/h5-11,14-16,21-22H,12-13H2,1-4H3,(H,31,35)(H,36,37)(H2,30,32,38)/t21-,22+/m0/s1
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| InChIKey |
QOGCUMGBYJLRDW-FCHUYYIVSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound